N-hexyl-3-methyl-N-(8-methylnon-8-enyl)cyclopentan-1-amine

C22H43N — CID 172581279

IUPACN-hexyl-3-methyl-N-(8-methylnon-8-enyl)cyclopentan-1-amine
SMILESC=C(C)CCCCCCCN(CCCCCC)C1CCC(C)C1
InChIInChI=1S/C22H43N/c1-5-6-7-12-17-23(22-16-15-21(4)19-22)18-13-10-8-9-11-14-20(2)3/h21-22H,2,5-19H2,1,3-4H3
InChIKeyWRPARGFHHUOBCV-UHFFFAOYSA-N
MW321.59 g/mol
LogP6.97
Rot. Bonds14

About N-hexyl-3-methyl-N-(8-methylnon-8-enyl)cyclopentan-1-amine

N-hexyl-3-methyl-N-(8-methylnon-8-enyl)cyclopentan-1-amine (PubChem CID 172581279) has the molecular formula C22H43N and a molecular weight of 321.59 g/mol. Its IUPAC name is N-hexyl-3-methyl-N-(8-methylnon-8-enyl)cyclopentan-1-amine.

Molecular Properties

Compound NameN-hexyl-3-methyl-N-(8-methylnon-8-enyl)cyclopentan-1-amine
PubChem CID172581279
Molecular FormulaC22H43N
Molecular Weight321.59 g/mol
Exact Mass321.34
IUPAC NameN-hexyl-3-methyl-N-(8-methylnon-8-enyl)cyclopentan-1-amine
SMILESC=C(C)CCCCCCCN(CCCCCC)C1CCC(C)C1
InChIInChI=1S/C22H43N/c1-5-6-7-12-17-23(22-16-15-21(4)19-22)18-13-10-8-9-11-14-20(2)3/h21-22H,2,5-19H2,1,3-4H3
InChIKeyWRPARGFHHUOBCV-UHFFFAOYSA-N
XLogP6.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.59
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hexyl-3-methyl-N-(8-methylnon-8-enyl)cyclopentan-1-amine?
The IUPAC name of N-hexyl-3-methyl-N-(8-methylnon-8-enyl)cyclopentan-1-amine (CID 172581279) is N-hexyl-3-methyl-N-(8-methylnon-8-enyl)cyclopentan-1-amine.
What is the SMILES notation for N-hexyl-3-methyl-N-(8-methylnon-8-enyl)cyclopentan-1-amine?
The canonical SMILES for N-hexyl-3-methyl-N-(8-methylnon-8-enyl)cyclopentan-1-amine is C=C(C)CCCCCCCN(CCCCCC)C1CCC(C)C1.
What is the InChIKey of N-hexyl-3-methyl-N-(8-methylnon-8-enyl)cyclopentan-1-amine?
The InChIKey is WRPARGFHHUOBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43N/c1-5-6-7-12-17-23(22-16-15-21(4)19-22)18-13-10-8-9-11-14-20(2)3/h21-22H,2,5-19H2,1,3-4H3.
What are the key properties of N-hexyl-3-methyl-N-(8-methylnon-8-enyl)cyclopentan-1-amine?
N-hexyl-3-methyl-N-(8-methylnon-8-enyl)cyclopentan-1-amine has a molecular weight of 321.59 g/mol, XLogP of 6.97, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-3-methyl-N-(8-methylnon-8-enyl)cyclopentan-1-amine is sourced from PubChem (CID 172581279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).